(6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-4-methyl-2-oxo-chromen-7-yl) 3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-methyl-2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(tosylamino)propionic acid (6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C28H23ClN2O6S MolecularWeight: 551.01002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=C(C=C5C(=CC(=O)OC5=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=C(C=C5C(=CC(=O)OC5=C4)C)Cl

InChI

InChI=1S/C28H23ClN2O6S/c1-16-7-9-19(10-8-16)38(34,35)31-24(12-18-15-30-23-6-4-3-5-20(18)23)28(33)37-26-14-25-21(13-22(26)29)17(2)11-27(32)36-25/h3-11,13-15,24,30-31H,12H2,1-2H3